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#1;WOODWARDINOSIDE;(4'R)-4'-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-ARABINOFURANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->4)]-[BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-G
SpectraBase Compound ID 9m06mC82J6L
InChI InChI=1S/C50H80O27/c1-20(2)8-6-9-21(3)10-7-11-50(5)14-23(12-22(4)31(50)24(55)13-30(57)58)69-49-44(77-45-36(63)32(59)25(56)19-68-45)39(66)41(28(17-53)73-49)74-48-40(67)43(76-46-37(64)34(61)27(16-52)71-46)42(29(18-54)72-48)75-47-38(65)35(62)33(60)26(15-51)70-47/h7-8,10-11,23-29,32-49,51-56,59-67H,6,9,12-19H2,1-5H3,(H,57,58)/b11-7+,21-10+/t23-,24-,25+,26-,27+,28-,29-,32-,33-,34+,35+,36+,37-,38-,39+,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50+/m0/s1
InChIKey JRQCBGBJSUGEHM-FLEIUJCOSA-N
Mol Weight 1113.2 g/mol
Molecular Formula C50H80O27
Exact Mass 1112.488697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n3rJf7UgGb
Name #1;WOODWARDINOSIDE;(4'R)-4'-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-ARABINOFURANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->4)]-[BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O27
InChI InChI=1S/C50H80O27/c1-20(2)8-6-9-21(3)10-7-11-50(5)14-23(12-22(4)31(50)24(55)13-30(57)58)69-49-44(77-45-36(63)32(59)25(56)19-68-45)39(66)41(28(17-53)73-49)74-48-40(67)43(76-46-37(64)34(61)27(16-52)71-46)42(29(18-54)72-48)75-47-38(65)35(62)33(60)26(15-51)70-47/h7-8,10-11,23-29,32-49,51-56,59-67H,6,9,12-19H2,1-5H3,(H,57,58)/b11-7+,21-10+/t23-,24-,25+,26-,27+,28-,29-,32-,33-,34+,35+,36+,37-,38-,39+,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50+/m0/s1
InChIKey JRQCBGBJSUGEHM-FLEIUJCOSA-N
Literature Reference Author L.O.HANUS,T.REZANKA,V.M.DEMBITSKY
Literature Reference Citation PHYTOCHEM.,63,869(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00290-5
Molecular Weight 1113.169 g/mol
Solvent C5D5N:CD3OD=1:1
Source File Reference UWMS28404